%chk=000216732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216732

1 1
N 3.439190 0.641886 0.565545
N 1.402754 -1.028059 -0.733004
C 2.456262 -0.240987 1.343614
C 3.594175 0.094554 -0.857853
C 1.124083 -0.401703 0.594406
C 2.235324 -0.090601 -1.553225
C 2.949194 2.071096 0.534015
C 4.788148 0.606018 1.253605
C 0.166742 -1.426468 -1.494853
C -0.929740 -1.956487 -0.605613
C -2.149441 -1.273468 -0.435633
C -0.724402 -3.184270 0.046642
C -2.456184 0.017403 -1.151222
C -3.132352 -1.824742 0.403632
C -1.708738 -3.724109 0.873952
C -2.915436 -3.039484 1.055026
C -1.721611 1.200796 -0.583126
C -1.824143 1.506805 0.784578
C -0.953228 2.026509 -1.418737
C -1.169537 2.624794 1.304705
C -0.302752 3.146924 -0.892931
C -0.403283 3.445577 0.468831
H 2.282660 0.188130 2.354847
H 2.917741 -1.249682 1.487007
H 4.109172 -0.897700 -0.803328
H 4.247005 0.769943 -1.453384
H 0.469722 -1.092146 1.186737
H 0.569109 0.561989 0.535197
H 1.746598 0.889768 -1.751905
H 2.415172 -0.559419 -2.552110
H 1.932517 2.144521 0.088326
H 2.879574 2.502940 1.549367
H 3.615728 2.722232 -0.058946
H 5.197315 -0.421471 1.301197
H 5.534530 1.230732 0.727713
H 4.728058 0.979736 2.293361
H 0.498307 -2.239644 -2.190282
H -0.217169 -0.604172 -2.140021
H 0.214951 -3.719541 -0.100719
H -3.551737 0.232486 -1.111915
H -2.254380 -0.103164 -2.238897
H -4.081772 -1.305627 0.541351
H -1.543645 -4.680460 1.370357
H -3.690352 -3.459447 1.698126
H -2.434154 0.878088 1.434941
H -0.894689 1.822485 -2.486819
H -1.275481 2.871998 2.361779
H 0.255987 3.807649 -1.555634
H 0.074305 4.337289 0.871098


%chk=000216732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216732

1 1
N 3.649045 0.555046 0.546784
N 1.399206 -0.909807 -0.681266
C 2.438121 0.011117 1.350704
C 3.783452 -0.277253 -0.752217
C 1.168005 -0.052883 0.501123
C 2.465440 -0.351767 -1.533054
C 3.463944 2.036968 0.230209
C 4.916419 0.386474 1.377033
C 0.158144 -1.222883 -1.463219
C -0.923934 -1.873735 -0.609645
C -2.232019 -1.317448 -0.475433
C -0.616821 -3.098720 0.036229
C -2.647881 -0.000196 -1.137899
C -3.188706 -2.018624 0.304770
C -1.575452 -3.778617 0.816115
C -2.873082 -3.234201 0.948752
C -2.004822 1.250306 -0.529235
C -2.049360 1.478627 0.871214
C -1.378001 2.220585 -1.352643
C -1.480071 2.643172 1.433600
C -0.805934 3.389028 -0.794917
C -0.851001 3.602729 0.602861
H 2.312385 0.669428 2.227183
H 2.722314 -1.002850 1.679566
H 4.080586 -1.290594 -0.434231
H 4.591492 0.179237 -1.349295
H 0.379867 -0.512091 1.122294
H 0.801527 0.967007 0.238910
H 2.200987 0.645982 -1.966389
H 2.638381 -1.029157 -2.389739
H 2.537674 2.189213 -0.339254
H 3.405846 2.594653 1.177667
H 4.328028 2.384366 -0.357192
H 5.059910 -0.680595 1.605053
H 5.778058 0.764789 0.804915
H 4.811906 0.955733 2.313794
H 0.468345 -1.924754 -2.261969
H -0.230435 -0.309103 -1.962210
H 0.389024 -3.518588 -0.083988
H -3.747138 0.093388 -1.048435
H -2.437591 -0.022952 -2.223990
H -4.200499 -1.606356 0.399402
H -1.321075 -4.727051 1.300861
H -3.633881 -3.755468 1.539230
H -2.540352 0.743882 1.520495
H -1.362989 2.076621 -2.440688
H -1.546896 2.815034 2.513936
H -0.354990 4.142187 -1.451418
H -0.435080 4.519616 1.035423


